CID 211420

Succinanilic acid, 4'-sulfanilamido-

Structural Information

Molecular Formula
C16H17N3O5S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)NC2=CC=C(C=C2)NC(=O)CCC(=O)O
InChI
InChI=1S/C16H17N3O5S/c17-11-1-7-14(8-2-11)25(23,24)19-13-5-3-12(4-6-13)18-15(20)9-10-16(21)22/h1-8,19H,9-10,17H2,(H,18,20)(H,21,22)
InChIKey
GWEOSLXSLNWSDS-UHFFFAOYSA-N
Compound name
4-[4-[(4-aminophenyl)sulfonylamino]anilino]-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.0889 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.096176 180.0
[M+Na]+ 386.078118 184.2
[M-H]- 362.081624 184.4
[M+NH4]+ 381.122723 190.1
[M+K]+ 402.052058 180.0
[M+H-H2O]+ 346.086160 171.5
[M+HCOO]- 408.087101 197.2
[M+CH3COO]- 422.102751 215.9
[M+Na-2H]- 384.063566 182.5
[M]+ 363.08835142 179.9
[M]- 363.08944858 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.